ethyl 1-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C19H29N3O5S/c1-5-27-19(24)15-9-11-22(12-10-15)14(2)18(23)20-16-7-6-8-17(13-16)28(25,26)21(3)4/h6-8,13-15H,5,9-12H2,1-4H3,(H,20,23)/p+1/t14-/m1/s1